7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

C17H12FN3O — CID 118577158

IUPAC7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1
InChIInChI=1S/C17H12FN3O/c18-11-22-15-2-1-13-8-17(20-9-14(13)7-15)21-6-4-12-3-5-19-10-16(12)21/h1-10H,11H2
InChIKeyRXYIATARBHDVIS-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.88
Rot. Bonds3

About 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (PubChem CID 118577158) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.

Molecular Properties

Compound Name7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
PubChem CID118577158
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1
InChIInChI=1S/C17H12FN3O/c18-11-22-15-2-1-13-8-17(20-9-14(13)7-15)21-6-4-12-3-5-19-10-16(12)21/h1-10H,11H2
InChIKeyRXYIATARBHDVIS-UHFFFAOYSA-N
XLogP3.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The IUPAC name of 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (CID 118577158) is 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.
What is the SMILES notation for 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The canonical SMILES for 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is FCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1.
What is the InChIKey of 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The InChIKey is RXYIATARBHDVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-11-22-15-2-1-13-8-17(20-9-14(13)7-15)21-6-4-12-3-5-19-10-16(12)21/h1-10H,11H2.
What are the key properties of 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline has a molecular weight of 293.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is sourced from PubChem (CID 118577158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).